(2R,3R)-N,1-dibutyl-2-methyl-4-methylidenepyrrolidin-3-amine

C14H28N2 — CID 10513351

IUPAC(2R,3R)-N,1-dibutyl-2-methyl-4-methylidenepyrrolidin-3-amine
SMILESC=C1CN(CCCC)[C@H](C)[C@@H]1NCCCC
InChIInChI=1S/C14H28N2/c1-5-7-9-15-14-12(3)11-16(13(14)4)10-8-6-2/h13-15H,3,5-11H2,1-2,4H3/t13-,14-/m1/s1
InChIKeySZSJCOMJIUMDIT-ZIAGYGMSSA-N
MW224.39 g/mol
LogP2.81
Rot. Bonds7

About (2R,3R)-N,1-dibutyl-2-methyl-4-methylidenepyrrolidin-3-amine

(2R,3R)-N,1-dibutyl-2-methyl-4-methylidenepyrrolidin-3-amine (PubChem CID 10513351) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is (2R,3R)-N,1-dibutyl-2-methyl-4-methylidenepyrrolidin-3-amine.

Molecular Properties

Compound Name(2R,3R)-N,1-dibutyl-2-methyl-4-methylidenepyrrolidin-3-amine
PubChem CID10513351
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name(2R,3R)-N,1-dibutyl-2-methyl-4-methylidenepyrrolidin-3-amine
SMILESC=C1CN(CCCC)[C@H](C)[C@@H]1NCCCC
InChIInChI=1S/C14H28N2/c1-5-7-9-15-14-12(3)11-16(13(14)4)10-8-6-2/h13-15H,3,5-11H2,1-2,4H3/t13-,14-/m1/s1
InChIKeySZSJCOMJIUMDIT-ZIAGYGMSSA-N
XLogP2.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[(4-methyl-1-prop-2-enyl-2,3-dihydropyrrol-2-yl)methyl]prop-2-en-1-amine
CID 135003191
3,3,3-trifluoro-N-methyl-N-[2-(4-methylidenepyrrolidin-2-yl)ethyl]propan-1-amine
CID 168883648
(2R,3R)-N,1-dicyclohexyl-2-methyl-4-methylidenepyrrolidin-3-amine
CID 10707626
(2R,3R)-N,1-dihexyl-2-methyl-4-methylidenepyrrolidin-3-amine
CID 10826636
(3S)-N-methyl-4-methylidenepyrrolidin-3-amine
CID 10197654
4-Methylidenepyrrolidin-3-amine
CID 15136232
N-methyl-4-methylidenepyrrolidin-3-amine
CID 15136237
N-methyl-4-methylidenepyrrolidin-3-amine;hydrochloride
CID 19792821
(3S)-N-methyl-4-methylidenepyrrolidin-3-amine;hydrochloride
CID 22847909
4-(Aminomethylidene)-2,2,5,5-tetramethylpyrrolidin-3-amine
CID 53748826
N-ethyl-N-(3-methylbut-2-enyl)pyrrolidin-3-amine
CID 63300406
(4E)-4-(aminomethylidene)-2,2,5,5-tetramethylpyrrolidin-3-amine
CID 67637542

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-N,1-dibutyl-2-methyl-4-methylidenepyrrolidin-3-amine?
The IUPAC name of (2R,3R)-N,1-dibutyl-2-methyl-4-methylidenepyrrolidin-3-amine (CID 10513351) is (2R,3R)-N,1-dibutyl-2-methyl-4-methylidenepyrrolidin-3-amine.
What is the SMILES notation for (2R,3R)-N,1-dibutyl-2-methyl-4-methylidenepyrrolidin-3-amine?
The canonical SMILES for (2R,3R)-N,1-dibutyl-2-methyl-4-methylidenepyrrolidin-3-amine is C=C1CN(CCCC)[C@H](C)[C@@H]1NCCCC.
What is the InChIKey of (2R,3R)-N,1-dibutyl-2-methyl-4-methylidenepyrrolidin-3-amine?
The InChIKey is SZSJCOMJIUMDIT-ZIAGYGMSSA-N. The full InChI is InChI=1S/C14H28N2/c1-5-7-9-15-14-12(3)11-16(13(14)4)10-8-6-2/h13-15H,3,5-11H2,1-2,4H3/t13-,14-/m1/s1.
What are the key properties of (2R,3R)-N,1-dibutyl-2-methyl-4-methylidenepyrrolidin-3-amine?
(2R,3R)-N,1-dibutyl-2-methyl-4-methylidenepyrrolidin-3-amine has a molecular weight of 224.39 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N,1-dibutyl-2-methyl-4-methylidenepyrrolidin-3-amine is sourced from PubChem (CID 10513351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).